2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal

C12H14OS — CID 165440470

IUPAC2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
SMILESCC(C=O)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14OS/c1-9(8-13)14-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3
InChIKeyGEDNOQJNXREVAM-UHFFFAOYSA-N
MW206.31 g/mol
LogP2.85
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal

2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal (PubChem CID 165440470) has the molecular formula C12H14OS and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
PubChem CID165440470
Molecular FormulaC12H14OS
Molecular Weight206.31 g/mol
Exact Mass206.08
IUPAC Name2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal
SMILESCC(C=O)Sc1ccc2c(c1)CCC2
InChIInChI=1S/C12H14OS/c1-9(8-13)14-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3
InChIKeyGEDNOQJNXREVAM-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoate
CID 60730756
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methylpentan-2-amine
CID 64705422
3-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-propylbutan-2-amine
CID 64647689
(2S)-1-(2,3-dihydro-1H-inden-5-ylsulfanyl)propan-2-ol
CID 106933303
2-(2,3-dihydro-1H-inden-5-yloxy)propanal
CID 126971637
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-methyl-1-phenylpropan-1-amine
CID 64648663
N-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propyl]pentan-2-amine
CID 55196306
1-[(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 8800662
(2S)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-phenylethyl)propanamide
CID 8996376
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
CID 82040234
4-[[(2R)-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanoyl]amino]benzamide
CID 8800471
4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-2-(ethylamino)-2-methylpentanamide
CID 64711312

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal (CID 165440470) is 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal is CC(C=O)Sc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal?
The InChIKey is GEDNOQJNXREVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14OS/c1-9(8-13)14-12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal?
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal has a molecular weight of 206.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)propanal is sourced from PubChem (CID 165440470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).